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authorKarl Berry <karl@freefriends.org>2021-01-31 21:34:33 +0000
committerKarl Berry <karl@freefriends.org>2021-01-31 21:34:33 +0000
commitdef6b709935cf319c107fa76ee9ba14e12f1e418 (patch)
tree287d7fd6751b496fe176b867325b62f5230ccca0 /Master/texmf-dist/doc/metapost
parent8e4455f3a4f37da421439043d53698d9eeae5df2 (diff)
mcf2graph (31jan21)
git-svn-id: svn://tug.org/texlive/trunk@57575 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/doc/metapost')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG10
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf65
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin527360 -> 534937 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex12
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf43
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin597299 -> 634517 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex167
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin201986 -> 201163 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex4
10 files changed, 204 insertions, 99 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 919160a9ce1..21f32d1af19 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,14 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2021-01-03
+ Changelog of mcf2graph software package by Akira Yamaji 2021-01-31
*******************************************************************************
+[ver. 4.56 / 2021-01-31]
+ -fix bug in molecular weight calculation
+ -fix bug in report output
+ -fix bug in MOL file output
+ -improve parts definition
+ -improve global ext() setting
+ -update MCF manual,example
+
[ver. 4.55 / 2021-01-03]
-fix bug in molecular weight calculation
-fix bug in charged atom calculation
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index f44677ee943..741ccc8dcae 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/README
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/README
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 4.55 2021-01-03
+ version : 4.56 2021-01-31
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
index f91483eb728..bb1984b27ad 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.01.03
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.01.31
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %%% it must be version 4.55 or later
-message "mcf_exa_soc 2021.01.03";
+input mcf2graph.mf; %%% it must be version 4.56 or later
+message "* mcf_exa_soc 2021.01.31";
message "";
%-------------------------------------------------------------------------
fsize:=(35mm,24mm);
@@ -32,21 +32,22 @@ tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
%%%%sw_calc:=1;
%%%%ext(defaultfont:="uhvr8r"; defaultscale:=.3;
%%%% label.lrt(decimal(char_num)&":"&inf_EN&" MW="&cal_MW
-%%%% if inf_MW<>"-": &"("& decimal(num_MW-scantokens(inf_MW))&")"
-%%%% else: &"(-)" fi ,(-2bp,1.5bp));)
-%***********************************************************************
+%%%% if (inf_MW<>"-")and(cen_MW<40):
+%%%% &"("& decimal(num_MW-scantokens(inf_MW))&")"
+%%%% else: &"(-)" fi ,(-2bp,1.5bp));)
+%***************************************************************************
beginfont("EN:Adenine","MW:135.13")
MC(<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH)
endfont
-%***********************************************************************
+%***************************************************************************
beginfont("EN:Guanine","MW:151.13")
MC(<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2)
endfont
-%***********************************************************************
+%***************************************************************************
beginfont("EN:Cytosine","MW:111.10")
MC(<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2)
endfont
-%***********************************************************************
+%***************************************************************************
beginfont("EN:Thymine","MW:126.11")
MC(<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_)
endfont
@@ -148,9 +149,8 @@ beginfont("EN:Hexaphenylbenzene","MW:534.6876")
endfont
%***************************************************************************
beginfont("EN:Kekulene","MW:600.7")
- MC(<30,?6,{2,-3,-2,-3,-2,-3,-2,-3,-2,-3}=?6,|=1,4:\,-1:#,-3:\,5:#,=|,
- {2,15,55}=dr,
- {6,8,10,13,18,20,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl)
+ MC(<30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],-4@#6,
+ {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl)
endfont
%***************************************************************************
beginfont("EN:18-Crown-6","MW:264.32")
@@ -158,6 +158,21 @@ beginfont("EN:18-Crown-6","MW:264.32")
O,-60,60,60,O,-60,60,60,O,-60,60,1:#)
endfont
%***************************************************************************
+beginfont("EN:Porphyrin","MW:310.4")
+MC(<9,|=1,?5,3:\,54,?5,-2:\,54,?5,-2:\,54,?5,-2:\,5:#,=|,
+ {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH)
+endfont
+%***************************************************************************
+beginfont("EN:Sulflower","MW:448.69")
+ MC(<67.5,?8,{1,3,5,7}=?5,11:@,30`1.15,12:#,14:@,30`1.15,15:#,
+ 17:@,30`1.15,18:#,20:@,30`1.15,9:#,{9,12,13,16,17,20,21,24}=dl,
+ {10,13,16,19,21,22,23,24}:S)
+endfont
+%***************************************************************************
+beginfont("EN:Arsphenamine x5","MW:915.2")
+ MC(<18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH))
+endfont
+%***************************************************************************
beginfont("EN:Melamine","MW:126.12")
MC(<30,Ph,{2,4,6}:N,{1,3,5}:/NH2)
endfont
@@ -178,10 +193,6 @@ beginfont("EN:Vat blue 1","MW:262.27")
MC(<30,Ph,3=?5,8:\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O)
endfont
%***************************************************************************
-beginfont("EN:Mordant red 11","MW:240.22")
- MC(<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-2}:/OH)
-endfont
-%***************************************************************************
beginfont("EN:Atrazine","MW:215.7")
MC(<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!)
endfont
@@ -200,10 +211,6 @@ MC(<30,?6`1.3,3=?6,6=dl,9=?3,-1:O,
{1,2,5,6,12^-210,12^-150}:/Cl)
endfont
%***************************************************************************
-beginfont("EN:Bromacil","MW:261.119")
-MC(<30,?6,6=dl,3:N,1:/Br,{2,4}://O,5:NH,6:/_,3:\,/_,!2)
-endfont
-%***************************************************************************
beginfont("EN:Acrinathrin","MW:541.45")
MC(<-30,?3,2^-35:*/_,2^35:/*Me,
1:\,!~dl,!,//O,!,O,!,/CF3,!,CF3,3:\,//O,!,O,!,/CN,!,Ph,-4:\,O,-60,Ph)
@@ -226,10 +233,6 @@ beginfont("EN:Clomazone","MW:239.7")
MC(<30,Ph,2:/Cl,3:\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O)
endfont
%***************************************************************************
-beginfont("EN:Ethofenprox","MW:376.5")
-MC(<30,Ph,5:\,O,!,Ph,10:\,O,!3,??,!,Ph,-3:/O!2)
-endfont
-%***************************************************************************
beginfont("EN:Halfenprox","MW:477.4")
MC(<30,Ph,6:\,O,!,/F^35,/F^-35,!,Br,3:\,!,??,!,O,!,!,Ph,-2:\,O,60,Ph)
endfont
@@ -383,7 +386,7 @@ beginfont("EN:Uniconazole-P","MW:291.779")
endfont
%***************************************************************************
beginfont("EN:Oxadiargyl","MW:341.19")
- MC(<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),4:\,|,?5,2=dl,{1,2}:N,4:O,5://O,-3:/??!)
+ MC(<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),4:\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!)
endfont
%***************************************************************************
beginfont("EN:Oxaziclomefone","MW:376.277")
@@ -664,12 +667,10 @@ beginfont("EN:Luciferin","MW:280.33")
endfont
%***************************************************************************
beginfont("EN:Chlorophyll a","MW:893.509")
-MC(<54,|=1,?5,{2,5}=dl,4:N,3:\,54~dl,|,?5,{2,4}=dl,5:N,
- -2:\,54~dl,|,?5,2=dl,5:N,-2:\~dl,54,|,?5,5=dl,5:N,-2:\~dl,$5:#,
- -1:@,24,/*COO!^15,72,//O,$1:#,=|,||,
- {2,9,15,20~zf}:/_,8:/!,14:\,!!,
- 4:\`1.45,Mg,17:#,-1:@,11~vb:#,-1:@,23~vb:#,
- 21:@,-6~wf,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_)
+MC(<-36,|=1,?5,3:\,54,?5,-2:\,54,?5,-2:\,54,?5,-2:\,5:#,6:@,22,70,8:#,=|,
+ {4,6,8,10,14,16,18,21,23,27}=dl,4:\`1.48~vf,Mg,17:#~vb,11@#27,27@#23,
+ {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O,
+ 2:*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_)
endfont
%**************************************************************************
beginfont("EN:Quercetin","MW:302.24")
@@ -745,7 +746,7 @@ beginfont("EN:Pyrethrin I","MW:328.452");
endfont;
%***********************************************************************
beginfont("EN:Oseltamivir","MW:312.40")
- MC(<30,?6,3=dl,6:*/NH2,1:\*,NH,!,//O,!,2:*\,!,/!,!2,4:\,//O,!,O,!2)
+ MC(<30,?6,3=dl,6:*/NH2,1:\*,NH,!,//O,!,2:*\,O,!,/!,!2,4:\,//O,!,O,!2)
endfont
%**************************************************************************
beginfont("EN:Paclitaxel","MW:853.918")
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index b0dbe23357c..467d9c47b6f 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
index c09fbd17f2c..1bac0a43d54 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
@@ -8,7 +8,7 @@
%%%%\pdfpkresolution=1200
%---------------------
\pagestyle{empty}
-\topmargin=-20mm
+\topmargin=-24mm
\oddsidemargin=-12mm
\textwidth=190mm
\textheight=280mm
@@ -35,12 +35,12 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{document}
\begin{center}
- {\Huge\sf Molecular Coding Format examples}\vspace{5mm}\\
- Author : Akira Yamaji \quad Date : \today\\
- Located at : http://www.ctan.org/pkg/mcf2graph\vspace{3mm}\\
+ {\Huge\sf Molecular Coding Format examples} \vspace{5mm} \\
+ Author : Akira Yamaji \quad Date : \today \\
+ Located at : http://www.ctan.org/pkg/mcf2graph \vspace{3mm} \\
\end{center}
{\small ** FM:Molecular formula calculated by mcf2graph \quad
- ** MW:Molecular weight calculated by mcf2graph}\vspace{3mm}\\
+ ** MW:Molecular weight calculated by mcf2graph} \vspace{3mm} \\
%------------------------------------------------------------------------
\noindent%
\openin\@auxf=\jobname-info.aux%
@@ -49,7 +49,7 @@
\read\@auxf to \@info%
\ifeof\@auxf\CONT@false\else\@sfor\@info{\tag@var\@list}%
%------------------------------------------------------------
- \begin{picture}(3750,3300)%
+ \begin{picture}(3750,3350)%
\put(20,3000){\footnotesize\bf \the\f@num:\EN}%
\put(20,2750){\labelM MW:\mw { / }FM:\fm}%
\put(20,2530){\labelM MW:\MW(data)}%
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
index aca042c93dc..84b9fc6bee6 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.01.03
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.01.31
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf; %% it must be version 4.55 or later
-message "mcf_man_soc 2021.01.03"; message "";
+input mcf2graph.mf; %% it must be version 4.56 or later
+message "mcf_man_soc 2021.01.31"; message "";
%------------------------------------------------------------------------
sw_mframe:=0;
sw_expand:=0;
@@ -301,9 +301,11 @@ endfont
%***********************************************************************
beginfont("EN:over line")
sw_trimming:=1;
- fsize:=(60mm,20mm);
+ fsize:=(75mm,20mm);
ratio_chain_ring:=1;
- MC(<30,!8,!,60,90`8,{2~si_,4~wf_,6~wb_,8~bd_}:/_`2)
+ MC(<30,!18,!,60,90`17,
+ {2~si_,4~wf_,6~wb_,8~zf_,10~zb_,
+ 12~bd_,14~dl_,16~dr_,18~dm_}:/_`2)
endfont
%***********************************************************************
beginfont("EN:change bond length1")
@@ -1160,16 +1162,39 @@ beginfont("EN:Quinine","MW:324.42")
)
endfont
%***************************************************************************
+sw_calc:=1;
+ext(defaultfont:="uhvr8r"; defaultscale:=.75;
+ label.urt("NO = "&decimal(char_num),(0.1w,0.60h));
+ label.urt("EN = "&inf_EN ,(0.1w,0.56h));
+ label.urt("MW = "&inf_MW ,(0.1w,0.52h));
+ label.urt("mw = "&cal_MW ,(0.1w,0.48h));
+ label.urt("fm = "&cal_FM ,(0.1w,0.44h));
+ label.urt("w = "&decimal(w) ,(0.1w,0.40h));
+ label.urt("h = "&decimal(h) ,(0.1w,0.36h));
+ label.urt("n = "&decimal(n) ,(0.1w,0.32h));
+ label.urt("ratio_thickness_bond = "&decimal(ratio_thickness_bond),
+ (0.1w,0.28h));
+ label.urt("ratio_atom_bond = "&decimal(ratio_atom_bond),
+ (0.1w,0.24h));
+ label.urt("ratio_bondgap_bond = "&decimal(ratio_bondgap_bond),
+ (0.1w,0.20h));
+ label.urt("ratio_chain_ring = "&decimal(ratio_chain_ring),
+ (0.1w,0.16h));
+ label.urt("sw_fframe = "&decimal(sw_fframe),(0.1w,0.12h));
+ label.urt("sw_aframe = "&decimal(sw_aframe),(0.1w,0.08h));
+ label.urt("sw_trimming = "&decimal(sw_trimming),(0.1w,0.04h));
+)
+%***************************************************************************
beginfont("EN:Ampicillin","MW:349.405")
- fsize:=(60mm,15mm);
- MC(<45,?4,-3=?5,2:N,7:S,
+ fsize:=(60mm,90mm);
+ MCat(0.5,1)(<45,?4,-3=?5,2:N,7:S,
{3^45,4^-45}:/*H,1://O^15,5:/*COOH^-18,6:??,
4:*\^75,NH,!,//O,!,/*NH2,!,Ph)
endfont
%***************************************************************************
beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65")
- fsize:=(60mm,15mm);
- MC(
+ fsize:=(60mm,90mm);
+ MCat(0.5,1)(
<30,?6,{-4,-2}=?6,-4=?5,7=dl,
1:*/OH,{4,12}:*/_^60,9:*/H^60,
10:/*H^180,11:/*H^-60,17:/*H^-54,
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 848ca9fe42b..fa14700a110 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index 2573d33c6d3..f8678eb7167 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,18 +1,14 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2021.01.03
+% Molecular Coding Format manual by Akira Yamaji 2021.01.31
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
-%%%%\documentclass[a4paper,twoside]{article}
-%%%%\usepackage{graphicx}
\usepackage[pdftex]{graphicx}
-%%%%\usepackage{epstopdf}
-%%%%\usepackage[dvipdfmx]{graphicx}
\usepackage[pdftex]{hyperref}
\usepackage{makeidx}
\makeindex
-%%%%\usepackage[dvipdfmx]{hyperref}
%---------------------
\usepackage{mcf_setup}
+%%%%\pdfpkresolution=1200
%---------------------
\hypersetup{colorlinks=true,linkcolor=blue}
\topmargin=-18mm
@@ -56,9 +52,9 @@
}%
%---------------------------------------------------------------------------
\def\put@char{%
- \begin{picture}(75,28)%
- \put(0,23){\bf [\NO]\EN}%
- \put(5,18){\small\tt FM:\fm{ }MW:\mw}%
+ \begin{picture}(75,110)%
+ \put(0,100){\bf [\NO]\EN}%
+ \put(5,95){\small\tt FM:\fm{ }MW:\mw}%
\put(5,0){\font\@strufont=\File\relax%
\hbox{\@strufont\char\Char}}%
\end{picture}%
@@ -174,6 +170,7 @@ exact mass, molecular formula.
%-----------------------------------------------------------------------------
\subsubsection{Connect atom}
\index{\#}%
+\index{"@\#}%
\begin{verbatim}
n:# : Connect to An
n1@#n2 : n1:@,n2:#
@@ -208,6 +205,7 @@ exact mass, molecular formula.
\index{"!"!"!}%
\index{dm}%
\index{dl}%
+\index{dr}%
\index{db}%
\index{tm}%
\begin{verbatim}
@@ -291,15 +289,26 @@ exact mass, molecular formula.
\index{si\_}%
\index{wf\_}%
\index{wb\_}%
+\index{zf\_}%
+\index{zb\_}%
\index{bd\_}%
+\index{dl\_}%
+\index{dr\_}%
+\index{dm\_}%
\begin{verbatim}
si_ : single over line
wf_ : wedge forward over line
wb_ : wedge backward over line
+ zf_ : wedge dotted forward over line
+ zb_ : wedge dotted backward over line
bd_ : broad over line
+ dl_ : duble left over line
+ dr_ : duble right over line
+ dm_ : duble over line
- <30,!8,!,60,90`8,
- {2~si_,4~wf_,6~wb_,8~bd_}:/_`2
+ <30,!8,!,60,90`18,
+ {2~si_,4~wf_,6~wb_,8~zf_,10~zb_,
+ 12~bd_,14~dl_,16~dr_,18~dm_}:/_`2
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -311,7 +320,7 @@ exact mass, molecular formula.
<-30,!2,!2`1.2,!2
- ** !2`1.2 : '`1.2,!2
+ ** !2`1.2 : !`1.2,!`1.2
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -483,6 +492,8 @@ exact mass, molecular formula.
%-----------------------------------------------------------------------------
\subsection{Group}
\subsubsection{Insert group}
+\index{/}%
+\index{Ph}%
\begin{verbatim}
/ : single
<-30,!,/_,!,/!,!3,/!2,!,/?!,
@@ -559,6 +570,7 @@ exact mass, molecular formula.
\subsubsection{Horizontal,vertical}
\index{hz}%
\index{vt}%
+\index{"'}%
\begin{verbatim}
>hz : horizontal environment (default)
>vt : vertical environment
@@ -605,7 +617,11 @@ exact mass, molecular formula.
\subsection{Miscellaneous}
%-----------------------------------------------------------------------------
\subsubsection{Abbreviated parts}
-\index{N!}%
+\index{NH}%
+\index{N"!}%
+\index{N"!2}%
+\index{SO}%
+\index{SOO}%
\begin{verbatim}
NH : N,/H~nl
N! : N,/_
@@ -616,8 +632,10 @@ exact mass, molecular formula.
<-30,!2,NH,!2,N!,!2,N!2,SO,!2,SOO,!
\end{verbatim}
\MCFgraph
-\index{?!}%
+\index{?"!}%
\index{??}%
+\index{??"!}%
+\index{N?"!}%
\begin{verbatim}
?! : /_,!
?? : /_^35,/_-35
@@ -631,7 +649,8 @@ exact mass, molecular formula.
\MCFgraph
%-----------------------------------------------------------------------------
\subsubsection{Make block}
-\index{\textbar= =\textbar}% |=
+\index{\textbar=}% |=
+\index{=\textbar}% =|
\begin{verbatim}
|= : start brock / bond length=n
=| : end brock
@@ -1018,6 +1037,8 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
%-----------------------------------------------------------------------------
\subsection{Parameter setting}
\subsubsection{Local parameter setting}
+\index{beginfont()}%
+\index{endfont}%
\begin{verbatim}
beginfont()
MC(Ph)
@@ -1117,12 +1138,37 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
\index{minus}%
\index{lonepair}%
\index{lonepairdiam}%
-\index{lonepairdiam}%
+\index{lonepairspace}%
\index{circlediam}%
\index{circlepen}%
+\index{w}%
+\index{h}%
+\index{aw}%
+\index{em}%
+\index{p0}%
+\index{l}%
\index{/*}%
\index{**}%
\index{\textgreater\textgreater}%
+\index{An}%
+\index{A[]}%
+\index{A[]ang}%
+\index{A[]up}%
+\index{A[]left}%
+\index{A[]right}%
+\index{A[]down}%
+\index{Bn}%
+\index{B[]}%
+\index{B[]s}%
+\index{B[]m}%
+\index{B[]e}%
+\index{B[]ang}%
+\index{B[]up}%
+\index{B[]left}%
+\index{B[]right}%
+\index{B[]down}%
+\index{defaultscale}%
+\index{labeloffset}%
\begin{verbatim}
(Add graphic to molecule)
@@ -1231,6 +1277,13 @@ endfont
\newpage
\subsection{Function ext()}
\index{ext()}%
+\index{w0}%
+\index{h0}%
+\index{aw}%
+\index{em}%
+\index{n}%
+\index{ratio\_thickness\_char}%
+\index{defaultscale}%
\begin{verbatim}
(Extra graphic to font)
@@ -1429,7 +1482,10 @@ endfont
\onecolumn
\section{Example to use mcf2graph}
\subsection{Molecular definition file}
+\index{mcf2graph.mf}%
\index{sw\_aux\_out}%
+\index{tag}%
+\index{var}%
\begin{verbatim}
%-------------------------------------------------------------------------
input mcf2graph.mf; % input macro
@@ -1481,6 +1537,20 @@ bye
\newpage
\subsection{Information auxfile output}
\paragraph{(Insert option parameter setting)}
+\index{F}%
+\index{C}%
+\index{NO}%
+\index{MW}%
+\index{MI}%
+\index{EN}%
+\index{JN}%
+\index{FM}%
+\index{USE}%
+\index{mw}%
+\index{fm}%
+\index{mi}%
+\index{w}%
+\index{h}%
\begin{verbatim}
sw_aux_out=1 : tag1:var1;tag2:var2
sw_aux_out=2 : tag1;tag2 var1;var2
@@ -1533,6 +1603,7 @@ EN : english name
JN : japanese name
FM : formula from literature data
MW : molecular weight from literature data
+MI : monoisotopic mass from literature data
USE : the use
mw : molecular weight calculated
mi : monoisotopic mass calculated
@@ -1558,46 +1629,46 @@ h : font height
\begin{verbatim}
------------------------------------------------------------------
Molecular name = Nicotine
- Warnings = 0 / Command count= 40
+ Warnings = 0 / Command count= 44
Width * Height = 49.57332 * 41.37605
Shift width * height = 0 * -9.07253
Bond length = 12.75589 Atom size = 5.38914
Atom count= 12 Bond count= 13 Ring count= 2 Hide H count= 14
------------------------------------------------------------------
-< NO. >( x axis , y axis )< atom >< bond >< hide_H >
- A1 ( 0 , 0 ) C 3 1
- A2 ( 0.866 , -0.5 ) N 3
- A3 ( 1.732 , 0 ) C 3 1
- A4 ( 1.732 , 1 ) C 4
- A5 ( 0.866 , 1.5 ) C 3 1
- A6 ( 0 , 1 ) C 3 1
- A7 ( 2.304 , 1.33 ) C 3 1
- A8 ( 3.217 , 0.923 ) N 3
- A9 ( 3.886 , 1.666 ) C 2 2
- A10 ( 3.386 , 2.532 ) C 2 2
- A11 ( 2.408 , 2.325 ) C 2 2
- A12 ( 3.399 , 0.067 ) C 1 3
+< NO. ><atom(s) >( x axis , y axis )<bond><hideH><chg>
+ A1 C ( 0 , 0 ) 3 1
+ A2 N ( 0.866 , -0.5 ) 3
+ A3 C ( 1.732 , 0 ) 3 1
+ A4 C ( 1.732 , 1 ) 4
+ A5 C ( 0.866 , 1.5 ) 3 1
+ A6 C ( 0 , 1 ) 3 1
+ A7 C ( 2.304 , 1.33 ) 3 1
+ A8 N ( 3.217 , 0.923 ) 3
+ A9 C ( 3.886 , 1.666 ) 2 2
+ A10 C ( 3.386 , 2.532 ) 2 2
+ A11 C ( 2.408 , 2.325 ) 2 2
+ A12 C ( 3.399 , 0.067 ) 1 3
------------------------------------------------------------------
-< NO. >< bond (sdt)><angle + ( +- )><length ( pt )>
- B1 1 -> 2 ( 2) 330 ( -30) 1 ( 12.76)
- B2 2 -> 3 ( 1) 30 ( 30) 1 ( 12.76)
- B3 3 -> 4 ( 2) 90 ( 90) 1 ( 12.76)
- B4 4 -> 5 ( 1) 150 ( 150) 1 ( 12.76)
- B5 5 -> 6 ( 2) 210 ( -150) 1 ( 12.76)
- B6 6 -> 1 ( 1) 270 ( -90) 1 ( 12.76)
- B7 4 -> 7 ( 1) 30 ( 30) 0.66 ( 8.42)
- B8 7 -> 8 ( 1) 336 ( -24) 1 ( 12.76)
- B9 8 -> 9 ( 1) 48 ( 48) 1 ( 12.76)
- B10 9 -> 10 ( 1) 120 ( 120) 1 ( 12.76)
- B11 10 -> 11 ( 1) 192 ( -168) 1 ( 12.76)
- B12 11 -> 7 ( 1) 264 ( -96) 1 ( 12.76)
- B13 8 -> 12 ( 1) 282 ( -78) 0.66 ( 8.42)
+< NO. >< bond (sdt)><angle +( +- )><length ( pt )>
+ B1 1 -> 2 ( 2) 330 ( -30) 1 ( 12.76)
+ B2 2 -> 3 ( 1) 30 ( 30) 1 ( 12.76)
+ B3 3 -> 4 ( 2) 90 ( 90) 1 ( 12.76)
+ B4 4 -> 5 ( 1) 150 ( 150) 1 ( 12.76)
+ B5 5 -> 6 ( 2) 210 ( -150) 1 ( 12.76)
+ B6 6 -> 1 ( 1) 270 ( -90) 1 ( 12.76)
+ B7 4 -> 7 ( 1) 30 ( 30) 0.66 ( 8.42)
+ B8 7 -> 8 ( 1) 336 ( -24) 1 ( 12.76)
+ B9 8 -> 9 ( 1) 48 ( 48) 1 ( 12.76)
+ B10 9 -> 10 ( 1) 120 ( 120) 1 ( 12.76)
+ B11 10 -> 11 ( 1) 192 ( -168) 1 ( 12.76)
+ B12 11 -> 7 ( 1) 264 ( -96) 1 ( 12.76)
+ B13 8 -> 12 ( 1) 282 ( -78) 0.66 ( 8.42)
------------------------------------------------------------------
<atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ]
- C ( 12.0107)[ 12] * 10 = 120.10696[ 120]
- H ( 1.00793)[ 1.00783] * 14 = 14.11108[ 14.10959]
- N ( 14.0067)[ 14.00307] * 2 = 28.0134[ 28.00613]
- Molecular Weight [Mono Isotopic] = 162.2314[ 162.11572]
+ C ( 12.0107)[ 12] * 10 120.10696[ 120]
+ H ( 1.00793)[ 1.00783] * 14 14.11108[ 14.10959]
+ N ( 14.0067)[ 14.00307] * 2 28.0134[ 28.00613]
+ Molecular Weight [Mono Isotopic] = 162.2314[ 162.11572]
------------------------------------------------------------------
Weight Calc: 162.2314 / Input: 162.23 / weight gap= 0.00145
Fomula Calc: C10H14N2 / Input:
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
index c901af300b6..11b156b318e 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
index 520379ffe16..df8c4bc5eb5 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.01.03
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.01.31
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.55 or later
+%%% mcf2graph.mf it must be version 4.56 or later
\documentclass{article}
%------------------------------------------------------------------------------
\usepackage{luamplib}%